CID 265546

5604-46-6

Structural Information

Molecular Formula

C₅H₃Cl₂N₃O

SMILES

C(=O)C1=C(N=C(N=C1Cl)N)Cl

InChI

InChI=1S/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10)

InChIKey

GOJUJUVQIVIZAV-UHFFFAOYSA-N

Compound name

2-amino-4,6-dichloropyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13527
Patents: 190.96532 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.97260	132.2
[M+Na]+	213.95454	146.8
[M+NH4]+	208.99914	140.1
[M+K]+	229.92848	140.3
[M-H]-	189.95804	133.3
[M+Na-2H]-	211.93999	139.1
[M]+	190.96477	135.0
[M]-	190.96587	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe